Crystallography Open Database

Information card for entry 1544023

Preview

Coordinates	1544023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 N5 O6 V
Calculated formula	C19 H26 N5 O6 V
SMILES	[V]12([N](N=C(O1)c1n(cc(N(=O)=O)c1)C)=Cc1c(O2)cccc1)(=O)=O.[NH+](CC)(CC)CC
Title of publication	Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies
Authors of publication	Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	484 - 496
a	16.2093 ± 0.0019 Å
b	15.7309 ± 0.0017 Å
c	8.5722 ± 0.0011 Å
α	90°
β	97.525 ± 0.001°
γ	90°
Cell volume	2167 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544023.cif
186164	2016-09-06	cif/ Adding structures of 1544023 via cif-deposit CGI script.	1544023.cif